Vitas-M small molecule compound

methyl 2-[(2-{[(4-chlorophenyl)carbonyl]amino}-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino]-4-ethyl-5-methylthiophene-3-carboxylate

Catalog ID
STK537366
SMILES COC(=O)C(C(F)(F)F)(Nc1sc(c(c1C(=O)OC)CC)C)NC(=O)c1ccc(cc1)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C20H20ClF3N2O5S MW 492.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClF3N2O5S/c1-5-13-10(2)32-16(14(13)17(28)30-3)26-19(18(29)31-4,20(22,23)24)25-15(27)11-6-8-12(21)9-7-11/h6-9,26H,5H2,1-4H3,(H,25,27)
InChIKey
SKPUIXQXNLKBLH-UHFFFAOYSA-N
Synonyms

CCC1=C(SC(=C1C(=O)OC)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)Cl)C
InChI=1SC20H20ClF3N2O5Sc151310(2)3216(14(13)17(28)303)2619(18(29)31420(2223)24)2515(27)116812(21)9711h6926H5H214H3(H2527)
METHYL2((1(((4CHLOROPHENYL)CARBONYL)AMINO)222TRIFLUORO1(METHOXYCARBONYL)ETHYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
METHYL2((1((4CHLOROBENZOYL)AMINO)222TRIFLUORO1(METHOXYCARBONYL)ETHYL)AMINO)4ETHYL5METHYL3THIOPHENECARBOXYLATE
methyl2((2(((4chlorophenyl)carbonyl)amino)111trifluoro3methoxy3oxopropan2yl)amino)4ethyl5methylthiophene3carboxylate
METHYL2((2((4CHLOROBENZOYL)AMINO)111TRIFLUORO3METHOXY3OXOPROPAN2YL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
methyl2((2(4chlorobenzamido)111trifluoro3methoxy3oxopropan2yl)amino)4ethyl5methylthiophene3carboxylate
MFCD02324952
ZINC000002050164
ZINC000002050165

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.